MMsINC Database Search


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MMsINC code: MMs01965372

Type: Neutral
Formula: C₂₅H₂₃NO₃

SMILES:

O1c2c(ccc(O)c2CNc2ccc(cc2)C)C(C)=C(Cc2ccccc2)C1=O

InChI:

InChI=1/C25H23NO3/c1-16-8-10-19(11-9-16)26-15-22-23(27)13-12-20-17(2)21(25(28)29-24(20)22)14-18-6-4-3-5-7-18/h3-13,26-27H,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.976 kcal/mol

Physical Properties
Molecular Weight: 385.463 g/mol	logS: -6.61669	SlogP: 5.51429	Reactive groups: 0

Topological Properties
Globularity: 0.071331	Sterimol/B1: 3.68995	Sterimol/B2: 3.75342	Sterimol/B3: 3.85929
Sterimol/B4: 8.35219	Sterimol/L: 18.6863

Surface and Volume Properties
Accessible surface: 667.379	Positive charged surface: 389.562	Negative charged surface: 277.817	Volume: 383.375
Hydrophobic surface: 565.91	Hydrophilic surface: 101.469

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.